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Geometry for HCCF (Fluoroacetylene) 1Σ C*V

1910171554
InChI=1S/C2HF/c1-2-3/h1H INChIKey=IAWCIZWLKMTPLL-UHFFFAOYSA-N

PBEPBEultrafine/cc-pVTZ


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.0933
C2 0.0000 0.0000 -1.2971
F3 0.0000 0.0000 1.1897
H4 0.0000 0.0000 -2.3651
Atom - Atom Distances (Å)
  C1 C2 F3 H4
C1 1.2039 1.2830 2.2718
C2 1.2039 2.4868 1.0679
F3 1.2830 2.4868 3.5547
H4 2.2718 1.0679 3.5547
Maximum atom distance is 3.5547Å between atoms F3 and H4.
picture of Fluoroacetylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 F3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 180.000

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.